LTX - Ideal conformer Mrv1927 06062213473D 90 89 0 0 0 0 999 V2000 -4.3240 7.9290 -2.8620 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6160 7.3820 -1.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4710 7.9850 -0.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0030 6.0160 -2.0300 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2570 5.6290 -0.7520 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6340 4.2420 -0.9240 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8880 3.8560 0.3550 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1860 4.7730 0.5750 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 2.4400 0.2110 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4220 2.0660 1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7170 1.7570 1.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 1.3930 2.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 1.0810 2.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4850 0.7170 3.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7560 0.3230 3.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4850 0.3830 2.3720 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7560 1.1770 2.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9020 0.6650 2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9350 -0.6470 1.4220 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7360 -0.4830 0.1290 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7690 -1.8150 -0.6230 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5700 -1.6510 -1.9160 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6030 -2.9840 -2.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 -2.7460 -3.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 -3.8220 -3.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 -4.8550 -3.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 -4.0060 -2.2580 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2310 -2.7420 -1.9950 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -2.6680 -1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -3.6480 -0.3410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 -1.3680 -0.7400 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8360 -0.2920 -0.3730 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6930 1.2730 -0.0480 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 -1.5460 0.3700 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0360 -2.0260 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3730 -2.3100 -0.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0020 -2.2100 1.2780 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.3250 -2.7630 0.7430 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.3050 -2.9500 1.9030 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7930 -3.9810 2.8160 N 0 0 1 0 0 0 0 0 0 0 0 0 -8.6460 -3.3780 1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9670 -4.5420 1.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4830 -2.4650 0.8460 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6970 8.8070 -2.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7890 5.2860 -2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 6.0310 -2.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 6.3590 -0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9540 5.6140 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4210 3.5130 -1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 4.2580 -1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5740 3.8910 1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 4.7950 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 2.4020 -0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 2.0480 2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 1.7740 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9340 1.3760 3.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2680 1.0980 1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9930 0.7690 4.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2630 -0.0400 4.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7290 -0.6280 2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8510 0.8630 1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7210 2.1680 2.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8230 1.1830 2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4060 -1.4060 2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9170 -0.9550 1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2650 0.2750 -0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7530 -0.1760 0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2400 -2.5740 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7510 -2.1230 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0990 -0.8930 -2.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5880 -1.3440 -1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5850 -3.2910 -2.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1740 -2.8670 -3.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0740 -3.7420 -2.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7810 -4.6880 -4.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 -4.7730 -2.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 -4.3140 -1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -1.9590 -2.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 -1.0600 -1.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 -0.5990 0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 -0.1590 -1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5300 -1.3200 1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5820 -2.9090 2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1800 -1.2500 1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7460 -2.0640 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1480 -3.7240 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4140 -2.0090 2.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6840 -4.8640 2.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9260 -3.6890 3.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3320 -2.7870 0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 24 25 2 0 0 0 0 23 22 1 0 0 0 0 22 21 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 21 20 1 0 0 0 0 20 19 1 0 0 0 0 14 15 2 0 0 0 0 14 13 1 0 0 0 0 3 2 2 0 0 0 0 8 7 1 0 0 0 0 28 29 1 0 0 0 0 15 16 1 0 0 0 0 12 13 2 0 0 0 0 12 11 1 0 0 0 0 19 18 1 0 0 0 0 30 29 2 0 0 0 0 10 11 2 0 0 0 0 10 9 1 0 0 0 0 29 31 1 0 0 0 0 2 4 1 0 0 0 0 2 1 1 0 0 0 0 7 6 1 0 0 0 0 7 9 1 0 0 0 0 5 6 1 0 0 0 0 5 4 1 0 0 0 0 16 17 1 0 0 0 0 18 17 2 0 0 0 0 33 9 1 0 0 0 0 33 32 1 0 0 0 0 31 32 1 0 0 0 0 31 34 1 0 0 0 0 34 35 1 0 0 0 0 35 37 1 0 0 0 0 35 36 2 0 0 0 0 42 41 2 0 0 0 0 37 38 1 0 0 0 0 40 39 1 0 0 0 0 41 43 1 0 0 0 0 41 39 1 0 0 0 0 38 39 1 0 0 0 0 1 44 1 0 0 0 0 4 45 1 0 0 0 0 4 46 1 0 0 0 0 5 47 1 0 0 0 0 5 48 1 0 0 0 0 6 49 1 0 0 0 0 6 50 1 0 0 0 0 7 51 1 1 0 0 0 8 52 1 0 0 0 0 9 53 1 6 0 0 0 10 54 1 0 0 0 0 11 55 1 0 0 0 0 12 56 1 0 0 0 0 13 57 1 0 0 0 0 14 58 1 0 0 0 0 15 59 1 0 0 0 0 16 60 1 0 0 0 0 16 61 1 0 0 0 0 17 62 1 0 0 0 0 18 63 1 0 0 0 0 19 64 1 0 0 0 0 19 65 1 0 0 0 0 20 66 1 0 0 0 0 20 67 1 0 0 0 0 21 68 1 0 0 0 0 21 69 1 0 0 0 0 22 70 1 0 0 0 0 22 71 1 0 0 0 0 23 72 1 0 0 0 0 23 73 1 0 0 0 0 23 74 1 0 0 0 0 26 75 1 0 0 0 0 27 76 1 0 0 0 0 27 77 1 0 0 0 0 28 78 1 0 0 0 0 31 79 1 6 0 0 0 32 80 1 0 0 0 0 32 81 1 0 0 0 0 34 82 1 0 0 0 0 37 83 1 0 0 0 0 37 84 1 0 0 0 0 38 85 1 0 0 0 0 38 86 1 0 0 0 0 39 87 1 1 0 0 0 40 88 1 0 0 0 0 40 89 1 0 0 0 0 43 90 1 0 0 0 0 M END